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Compound Detail

CHEMBL5594116

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Cc1cccc(C)c1NC(=O)C1c2cccc[n+]2CC(=O)N1c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5594116
Phase Preclinical
Structure Type MOL
InChI Key SWGIBNGMZPDZMB-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
3.97
ALogP
2
HBA
1
HBD
53.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClN3O2+
MW 406.89
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
37944867 10.1016/j.bmcl.2023.129547 Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine